CHEBI:109979 - N-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
ChEBI ID CHEBI:109979
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H31N3O5S
Net Charge 0
Average Mass 437.555
Monoisotopic Mass 437.19844
InChI InChI=1S/C21H31N3O5S/c1-14-11-24(15(2)13-25)21(26)18-9-17(16-7-5-6-8-16)10-22-20(18)29-19(14)12-23(3)30(4,27)28/h7,9-10,14-15,19,25H,5-6,8,11-13H2,1-4H3/t14-,15+,19-/m1/s1
InChIKey YKXPYIASKYVMCP-ZRGWGRIASA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCC3)O[C@@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:109979) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-21406 LINCS
View more database links